761
Summary
| Name: | 3-(OXALYL-AMINO)-NAPHTHALENE-2-CARBOXYLIC ACID |
| Formula: | C13 H9 N O5 |
| Formal charge: | 0 |
| Formula weight: | 259.214 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | 3-[(carboxycarbonyl)amino]naphthalene-2-carboxylic acid |
| OpenEye OEToolkits | 1.5.0 | 3-(carboxycarbonylamino)naphthalene-2-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)C(=O)Nc2c(cc1c(cccc1)c2)C(=O)O |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C(=O)Nc1cc2ccccc2cc1C(O)=O |
| SMILES | CACTVS | 3.341 | OC(=O)C(=O)Nc1cc2ccccc2cc1C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc2cc(c(cc2c1)C(=O)O)NC(=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C13H9NO5/c15-11(13(18)19)14-10-6-8-4-2-1-3-7(8)5-9(10)12(16)17/h1-6H,(H,14,15)(H,16,17)(H,18,19) |
| InChIKey | InChI | 1.03 | DQBLKSRRWDWNKQ-UHFFFAOYSA-N |
